3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol

C19H32N2O2 — CID 110450109

IUPAC3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
SMILESCOc1cc(C)c2c(c1C(C)C)C(CN)N(CC(C)(C)CO)C2
InChIInChI=1S/C19H32N2O2/c1-12(2)17-16(23-6)7-13(3)14-9-21(10-19(4,5)11-22)15(8-20)18(14)17/h7,12,15,22H,8-11,20H2,1-6H3
InChIKeyCHSYWXNZKPQDGY-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.96
Rot. Bonds6

About 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol

3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 110450109) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID110450109
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
SMILESCOc1cc(C)c2c(c1C(C)C)C(CN)N(CC(C)(C)CO)C2
InChIInChI=1S/C19H32N2O2/c1-12(2)17-16(23-6)7-13(3)14-9-21(10-19(4,5)11-22)15(8-20)18(14)17/h7,12,15,22H,8-11,20H2,1-6H3
InChIKeyCHSYWXNZKPQDGY-UHFFFAOYSA-N
XLogP2.96
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

[6-methoxy-4-methyl-2-(2-phenylethyl)-7-propan-2-yl-1,3-dihydroisoindol-1-yl]methanamine
CID 110450121
3-[1-(aminomethyl)-6-methyl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 82545798
3-[1-(aminomethyl)-4-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol
CID 110449948
[7-fluoro-4-methoxy-2-(2-methylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544857
(2-ethyl-7-fluoro-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544863
2-tert-butyl-6-methoxy-4-methyl-3-oxo-7-propan-2-yl-1H-isoindole-1-carbonitrile
CID 110449298
2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
3-(5-chloro-2-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135121
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
2-(4-hydroxycyclohexyl)-6-methoxy-4-methyl-3-oxo-7-propan-2-yl-1H-isoindole-1-carbonitrile
CID 110449328

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol (CID 110450109) is 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol is COc1cc(C)c2c(c1C(C)C)C(CN)N(CC(C)(C)CO)C2.
What is the InChIKey of 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is CHSYWXNZKPQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12(2)17-16(23-6)7-13(3)14-9-21(10-19(4,5)11-22)15(8-20)18(14)17/h7,12,15,22H,8-11,20H2,1-6H3.
What are the key properties of 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol?
3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 320.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-6-methoxy-4-methyl-7-propan-2-yl-1,3-dihydroisoindol-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 110450109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).